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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

1910171554
InChI=1S/C2H6Se/c1-3-2/h1-2H3 INChIKey=RVIXKDRPFPUUOO-UHFFFAOYSA-N

B2PLYP=FULL/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4779   0.4779 0.0000 0.0000
C2 0.0000 1.4633 -0.8272   -0.8272 0.0000 1.4633
C3 0.0000 -1.4633 -0.8272   -0.8272 0.0000 -1.4633
H4 0.0000 2.3955 -0.2654   -0.2654 0.0000 2.3955
H5 0.0000 -2.3955 -0.2654   -0.2654 0.0000 -2.3955
H6 0.8932 1.4177 -1.4474   -1.4474 0.8932 1.4177
H7 -0.8932 1.4177 -1.4474   -1.4474 -0.8932 1.4177
H8 -0.8932 -1.4177 -1.4474   -1.4474 -0.8932 -1.4177
H9 0.8932 -1.4177 -1.4474   -1.4474 0.8932 -1.4177
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9607 1.9607 2.5082 2.5082 2.5523 2.5523 2.5523 2.5523
C2 1.9607 2.9265 1.0885 3.8995 1.0884 1.0884 3.0794 3.0794
C3 1.9607 2.9265 3.8995 1.0885 3.0794 3.0794 1.0884 1.0884
H4 2.5082 1.0885 3.8995 4.7910 1.7751 1.7751 4.0910 4.0910
H5 2.5082 3.8995 1.0885 4.7910 4.0910 4.0910 1.7751 1.7751
H6 2.5523 1.0884 3.0794 1.7751 4.0910 1.7865 3.3513 2.8355
H7 2.5523 1.0884 3.0794 1.7751 4.0910 1.7865 2.8355 3.3513
H8 2.5523 3.0794 1.0884 4.0910 1.7751 3.3513 2.8355 1.7865
H9 2.5523 3.0794 1.0884 4.0910 1.7751 2.8355 3.3513 1.7865
Maximum atom distance is 4.7910Å between atoms H4 and H5.
picture of dimethylselenide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Se1 C3 96.540
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.193 Se1 C2 H6 110.368
Se1 C2 H7 110.368 Se1 C3 H5 107.193
Se1 C3 H8 110.368 Se1 C3 H9 110.368
H4 C2 H6 109.267 H4 C2 H7 109.267
H5 C3 H8 109.267 H5 C3 H9 109.267
H6 C2 H7 110.311 H8 C3 H9 110.311

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.